methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate

C14H11FN2O3 — CID 61292895

IUPACmethyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)9-2-4-11(5-3-9)17-13(18)10-6-7-16-12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyCAFZAUGYTIFIQK-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.26
Rot. Bonds3

About methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate

methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate (PubChem CID 61292895) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
PubChem CID61292895
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Namemethyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)9-2-4-11(5-3-9)17-13(18)10-6-7-16-12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyCAFZAUGYTIFIQK-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178658
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate (CID 61292895) is methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate?
The InChIKey is CAFZAUGYTIFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-20-14(19)9-2-4-11(5-3-9)17-13(18)10-6-7-16-12(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate?
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate has a molecular weight of 274.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 61292895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).